test pixi

.gitattributes

@@ -0,0 +1,3 @@
+# GitHub syntax highlighting
+pixi.lock linguist-language=YAML
+

.github/workflows/test-with-pixi.yml

@@ -0,0 +1,69 @@
+name: test-with-pixi
+
+on:
+  push:
+    branches: ["main"]
+    tags: ["*"]
+  pull_request:
+    branches:
+      - "*"
+      - "!gh-pages"
+  schedule:
+    - cron: "0 4 * * MON"
+
+jobs:
+  test:
+    strategy:
+      fail-fast: false
+      matrix:
+        # NOTE(hadim): for now we cannot test a matrix since it does not seem
+        # to be supported by pixi yet.
+        # python-version: ["3.10", "3.11"]
+        # os: ["ubuntu-latest", "macos-latest", "windows-latest"]
+        # rdkit-version: ["2023.03", "2023.09"]
+        python-version: ["3.11"]
+        os: ["ubuntu-latest"]
+        rdkit-version: ["2023.09"]
+
+    runs-on: ${{ matrix.os }}
+    timeout-minutes: 30
+
+    defaults:
+      run:
+        shell: pixi run bash {0}
+
+    name: |
+      os=${{ matrix.os }}
+      - python=${{ matrix.python-version }}
+      - rdkit=${{ matrix.rdkit-version }}
+
+    steps:
+      - name: Checkout the code
+        uses: actions/checkout@v3
+
+      - uses: prefix-dev/[email protected]
+        with:
+          pixi-version: v0.9.1
+          cache: true
+          locked: true
+          frozen: false
+          log-level: default # one of `q`, `default`, `v`, `vv`, or `vvv`.
+
+      - name: Install library
+        run: python -m pip install --no-deps -e . # `-e` required for correct `coverage` run.
+
+      - name: Run tests
+        run: pytest
+
+      - name: Codecov Upload
+        uses: codecov/codecov-action@v3
+        with:
+          files: ./coverage.xml
+          flags: unittests
+          name: codecov-umbrella
+          fail_ci_if_error: false
+          verbose: false
+          env_vars: ${{ matrix.os }},${{ matrix.python-version }},${{ matrix.rdkit-version }}
+
+      - name: Test building the doc
+        run: mkdocs build

.gitignore

@@ -65,3 +65,6 @@ site/
 
 .idea/
 __pycache__
+# pixi environments
+.pixi
+